1-[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(4-chloro-3-ethoxy-phenyl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-(4-chloro-3-ethoxy-benzyl)-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3)Cl

InChI

InChI=1S/C21H23ClN4O3/c1-2-29-20-11-14(3-5-17(20)22)13-25-9-7-16(8-10-25)26-19-6-4-15(21(27)28)12-18(19)23-24-26/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,27,28)